1-(5-fluoro-1-benzothiophen-3-yl)ethanamine

C10H10FNS — CID 117120717

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)ethanamine
SMILESCC(N)c1csc2ccc(F)cc12
InChIInChI=1S/C10H10FNS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6H,12H2,1H3
InChIKeyUSIATAFKCBKIKK-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.06
Rot. Bonds1

About 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine

1-(5-fluoro-1-benzothiophen-3-yl)ethanamine (PubChem CID 117120717) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)ethanamine
PubChem CID117120717
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)ethanamine
SMILESCC(N)c1csc2ccc(F)cc12
InChIInChI=1S/C10H10FNS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6H,12H2,1H3
InChIKeyUSIATAFKCBKIKK-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine
CID 117195555
3-(1-fluoroethyl)-1-benzothiophen-5-ol
CID 84666921
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
CID 130619359
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine (CID 117120717) is 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine is CC(N)c1csc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is USIATAFKCBKIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6H,12H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine?
1-(5-fluoro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 195.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 117120717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).